N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]thiophene-3-carboxamide

Systemtic Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]thiophene-3-carboxamide Openeye Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]thiophene-3-carboxamide CAS Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)-3-piperidin-1-iumyl]-3-thiophenecarboxamide IUPAC Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]thiophene-3-carboxamide Traditional Name: N-methyl-N-[(3S)-1-(3-phenylpropyl)piperidin-1-ium-3-yl]thiophene-3-carboxamide Formula: C20H27N2OS+ MolecularWeight: 343.50618

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CSC=C3

Isomeric SMILES

CN([C@H]1CCC[NH+](C1)CCCC2=CC=CC=C2)C(=O)C3=CSC=C3

InChI

InChI=1S/C20H26N2OS/c1-21(20(23)18-11-14-24-16-18)19-10-6-13-22(15-19)12-5-9-17-7-3-2-4-8-17/h2-4,7-8,11,14,16,19H,5-6,9-10,12-13,15H2,1H3/p+1/t19-/m0/s1